N-[6-[(3-methylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[(3-methylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3-methylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3-methylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(m-toluoylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H16N4O3S2/c1-12-4-2-5-13(10-12)18(26)24-20(29)22-14-7-8-15-17(11-14)30-21(23-15)25-19(27)16-6-3-9-28-16/h2-11H,1H3,(H,23,25,27)(H2,22,24,26,29)